SCHEMBL4902212

SCHEMBL4902212

Cc1ccc(Cn2c(-c3cccc(-c4cnn(Cc5ccccc5)c4)c3)cc(C(F)(F)F)c(C#N)c2=O)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.44
NR1H2 P55055 3/20 0.44
NR1H3 Q13133 3/20 0.44
CREBBP Q92793 5/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39
KLKB1 P03952 1/20 0.38
HPGD P15428 2/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
AR P10275 1/20 0.36
SCD O00767 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4908434 0.90 RXRA (0.42) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL4902577 0.88 NR1H2 (0.45) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL4907972 0.88 NR1H2 (0.41) RXRANR1H2NR1H3CREBBPKDM4E
SCHEMBL14184099 0.86 MEN1 (0.42) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL2263811 0.84 NR1H2 (0.59) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL2264167 0.83 NR1H2 (0.51) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL4906529 0.83 NR1H2 (0.48) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL2262720 0.82 NR1H2 (0.48) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL4904604 0.82 NR1H2 (0.41) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL4901856 0.82 NR1H2 (0.47) RXRANR1H2NR1H3KDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US claimed
EP-1773337-A2 MODULATORS OF NUCLEAR RECEPTORS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006025979-A2 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS, INC. (US) 2006-03-09 WO claimed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
EP-1773337-A2 MODULATORS OF NUCLEAR RECEPTORS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006025979-A2 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS, INC. (US) 2006-03-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080119488-A1 Modulators Of Nuclear Receptors NR1H2, NR0B1, NR1H3 RXRA 20/4885NR1H2 1/4885NR1H3 3/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.